6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

C17H14N4O3 — CID 4692771

IUPAC6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1cc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccc(N)cc12
InChIInChI=1S/C17H14N4O3/c1-10-8-16(22)17(14-7-2-11(18)9-15(10)14)20-19-12-3-5-13(6-4-12)21(23)24/h2-9,22H,18H2,1H3/b20-19+
InChIKeyUCHAXONIICBPLP-FMQUCBEESA-N
MW322.32 g/mol
LogP4.76
Rot. Bonds3

About 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 4692771) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID4692771
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1cc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccc(N)cc12
InChIInChI=1S/C17H14N4O3/c1-10-8-16(22)17(14-7-2-11(18)9-15(10)14)20-19-12-3-5-13(6-4-12)21(23)24/h2-9,22H,18H2,1H3/b20-19+
InChIKeyUCHAXONIICBPLP-FMQUCBEESA-N
XLogP4.76
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 4692771) is 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is Cc1cc(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c2ccc(N)cc12.
What is the InChIKey of 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is UCHAXONIICBPLP-FMQUCBEESA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10-8-16(22)17(14-7-2-11(18)9-15(10)14)20-19-12-3-5-13(6-4-12)21(23)24/h2-9,22H,18H2,1H3/b20-19+.
What are the key properties of 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 322.32 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 4692771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).